Home >> Chemicals Listing >> hot product list by C  

Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)- (14297-81-5)

Identification
Name:Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-
Synonyms:Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methyl-1-propenyl)- (9CI);Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methylpropenyl)- (7CI,8CI);2,2-Dimethyl-3-(2-methyl propenyl)cyclopropane formyl chloride;2-(1-Isobutenyl)-3,3-dimethylcyclopropanecarbonyl chloride;Chrysanthemic acidchloride;Chrysanthemoyl chloride;Chrysanthemumic acid chloride;Chrysanthemummonocarbonyl chloride;Chrysanthemummonocarboxylic acid chloride;Chrysanthemummonocarboxylic chloride;Chrysanthemumoyl chloride;
CAS:14297-81-5
EINECS: 238-229-5
Molecular Formula: C10H15ClO
Molecular Weight: 186.68
InChI: InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3
Molecular Structure: (C10H15ClO) Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methyl-1-propenyl)- (9CI);Cyclopropanecarbonylchlori...
Properties
Flash Point: 100 ºC
Boiling Point: 206 ºC
Density:1.098
Refractive index:1.533
Specification:

The Chrysanthemoyl chloride with the cas number 14297-81-5 is also called Cyclopropanecarbonylchloride, 2,2-dimethyl-3-(2-methyl-1-propen-1-yl)-. The IUPAC name is 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carbonyl chloride. Its molecular formula is C10H15ClO. The EINECS registry number is 238-229-5.

The properties of the chemical are: (1)ACD/LogP: 3.55; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.55; (4)ACD/LogD (pH 7.4): 3.55; (5)ACD/BCF (pH 5.5): 295.53; (6)ACD/BCF (pH 7.4): 295.53; (7)ACD/KOC (pH 5.5): 2042.05; (8)ACD/KOC (pH 7.4): 2042.05; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.533; (14)Molar Refractivity: 52.79 cm3; (15)Molar Volume: 169.9 cm3; (16)Polarizability: 20.93×10-24cm3; (17)Surface Tension: 37.6 dyne/cm; (18)Enthalpy of Vaporization: 44.22 kJ/mol; (19)Vapour Pressure: 0.243 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClC(=O)C1C(/C=C(/C)C)C1(C)C
(2)InChI: InChI=1/C10H15ClO/c1-6(2)5-7-8(9(11)12)10(7,3)4/h5,7-8H,1-4H3
(3)InChIKey: VNTCVNLNEOVBEE-UHFFFAOYAC

The toxicity data is as follows:

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LD50 oral 320mg/kg (320mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
mammal (species unspecified) LCLo inhalation 630mg/m3 (630mg/m3) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: EXCITEMENT

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD		 Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
mouse LD50 oral 160mg/kg (160mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
mouse LD50 skin 4250mg/kg (4250mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.
rat LD50 oral 400mg/kg (400mg/kg)   Gigiena i Sanitariya. For English translation, see HYSAAV. Vol. 51(1), Pg. 16, 1986.

Flash Point: 100 ºC
Safety Data
 

Other Product